ethyl 4-[(4-ethanoylphenyl)amino]-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylate

Systemtic Name: ethyl 4-[(4-ethanoylphenyl)amino]-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylate Openeye Name: ethyl 4-(4-acetylanilino)-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylate CAS Name: 4-(4-acetylanilino)-5,6-dimethyl-7-phenyl-2-pyrrolo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylanilino)-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidine-2-carboxylate Traditional Name: 4-(4-acetylanilino)-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid ethyl ester Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C(=C(N2C3=CC=CC=C3)C)C)C(=N1)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCOC(=O)C1=NC2=C(C(=C(N2C3=CC=CC=C3)C)C)C(=N1)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C25H24N4O3/c1-5-32-25(31)23-27-22(26-19-13-11-18(12-14-19)17(4)30)21-15(2)16(3)29(24(21)28-23)20-9-7-6-8-10-20/h6-14H,5H2,1-4H3,(H,26,27,28)